[5-(6-aminopurin-9-yl)-4-oxidanyl-3-propanoyloxy-oxolan-2-yl]methyl propanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-4-oxidanyl-3-propanoyloxy-oxolan-2-yl]methyl propanoate Openeye Name: [5-(6-aminopurin-9-yl)-4-hydroxy-3-propanoyloxy-tetrahydrofuran-2-yl]methyl propanoate CAS Name: propanoic acid [5-(6-aminopurin-9-yl)-4-hydroxy-3-(1-oxopropoxy)-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-4-hydroxy-3-propanoyloxyoxolan-2-yl]methyl propanoate Traditional Name: propionic acid (5-adenin-9-yl-4-hydroxy-3-propionyloxy-tetrahydrofuran-2-yl)methyl ester Formula: C16H21N5O6 MolecularWeight: 379.36784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OC(=O)CC

Isomeric SMILES

CCC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OC(=O)CC

InChI

InChI=1S/C16H21N5O6/c1-3-9(22)25-5-8-13(27-10(23)4-2)12(24)16(26-8)21-7-20-11-14(17)18-6-19-15(11)21/h6-8,12-13,16,24H,3-5H2,1-2H3,(H2,17,18,19)